Table 3 – Interactive Molecular Visualization
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Tactile Models |
Virtual Models |
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Advantages
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- shows connectivity - displays the real 3D in ideal state - possibility of illustrating some intramolecular interactions (internal rotation) - can test superposition of isomers - can generate possible conformer structures by internal rotation |
- shows true arrangement plus distortions – based on real experimental measurements or computations such as Spartan - can change orientation and mode of display (“true” size with space fill) - can make measurements -bond length -bond angle -torsion angle -molecular dimensions - can visualize complicated molecules (DNA, proteins) with simplifying modes of display - provides flexibility – animated vibrations (stretch, bend, internal rotation of bonds) - can generate animated reaction mechanisms - can display electrostatic potential maps -molecular polarity -attack points in reactions |
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Disadvantages |
- is rigid (set bond lengths and angles) - true molecule size and shape not possible - can fall apart! (at least some) |
- may encounter incorrect structure files - may not grasp the 3D nature on flat computer screen |